ethyl (Z)-2-[[cyclohexylmethyl(ethoxy)phosphoryl]methyl]-3-cyclopropylprop-2-enoate

C18H31O4P — CID 15735578

IUPACethyl (Z)-2-[[cyclohexylmethyl(ethoxy)phosphoryl]methyl]-3-cyclopropylprop-2-enoate
SMILESCCOC(=O)/C(=C/C1CC1)CP(=O)(CC1CCCCC1)OCC
InChIInChI=1S/C18H31O4P/c1-3-21-18(19)17(12-15-10-11-15)14-23(20,22-4-2)13-16-8-6-5-7-9-16/h12,15-16H,3-11,13-14H2,1-2H3/b17-12+
InChIKeyXWNXCNQADYZYEK-SFQUDFHCSA-N
MW342.42 g/mol
LogP4.78
Rot. Bonds9

About ethyl (Z)-2-[[cyclohexylmethyl(ethoxy)phosphoryl]methyl]-3-cyclopropylprop-2-enoate

ethyl (Z)-2-[[cyclohexylmethyl(ethoxy)phosphoryl]methyl]-3-cyclopropylprop-2-enoate (PubChem CID 15735578) has the molecular formula C18H31O4P and a molecular weight of 342.42 g/mol. Its IUPAC name is ethyl (Z)-2-[[cyclohexylmethyl(ethoxy)phosphoryl]methyl]-3-cyclopropylprop-2-enoate.

Molecular Properties

Compound Nameethyl (Z)-2-[[cyclohexylmethyl(ethoxy)phosphoryl]methyl]-3-cyclopropylprop-2-enoate
PubChem CID15735578
Molecular FormulaC18H31O4P
Molecular Weight342.42 g/mol
Exact Mass342.20
IUPAC Nameethyl (Z)-2-[[cyclohexylmethyl(ethoxy)phosphoryl]methyl]-3-cyclopropylprop-2-enoate
SMILESCCOC(=O)/C(=C/C1CC1)CP(=O)(CC1CCCCC1)OCC
InChIInChI=1S/C18H31O4P/c1-3-21-18(19)17(12-15-10-11-15)14-23(20,22-4-2)13-16-8-6-5-7-9-16/h12,15-16H,3-11,13-14H2,1-2H3/b17-12+
InChIKeyXWNXCNQADYZYEK-SFQUDFHCSA-N
XLogP4.78
TPSA52.60 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds9
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500342.42
LogP ≤ 54.78
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Michael_acceptor_1', 'substructure': 'N/A'}, {'alert_name': 'phosphor', 'substructure': 'N/A'}

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Related Compounds

2-[[cyclohexylmethyl(ethoxy)phosphoryl]methyl]-3-cyclopropylprop-2-enoic acid
CID 67804026
ethyl (2E)-2-(cyclohexylmethylidene)hexanoate
CID 10752447
diethyl (2E,9Z)-2,9-bis(cyclohexylmethylidene)deca-4,6-diynedioate
CID 102084350
(2S)-1-amino-3-[cyclohexylmethyl(ethoxy)phosphoryl]propan-2-ol
CID 10061302
(E)-2-[[benzyl(ethoxy)phosphoryl]methyl]-3-cyclohexylprop-2-enoic acid
CID 67805004
ethyl 2-[[ethoxy(2-methylpropyl)phosphoryl]methyl]but-2-enoate
CID 54351601
ethyl (E)-2-chloro-3-cyclopentylprop-2-enoate
CID 100936979
[[(2S)-3-amino-2-hydroxypropyl]-(cyclohexylmethyl)phosphoryl]oxymethyl ethyl carbonate
CID 68719402
ethyl 2-(oxetan-2-ylmethylidene)butanoate
CID 66839897
ethyl (Z)-2-[[ethoxy(2-methylpropyl)phosphoryl]methyl]-5-methylhex-2-enoate
CID 15735564
ethyl 5-cyclohexyl-2-methylidenepentanoate
CID 54419238
[2-(7-cyclohexylheptyl)oxiran-2-yl] ethyl carbonate
CID 88708633

Frequently Asked Questions

What is the IUPAC name of ethyl (Z)-2-[[cyclohexylmethyl(ethoxy)phosphoryl]methyl]-3-cyclopropylprop-2-enoate?
The IUPAC name of ethyl (Z)-2-[[cyclohexylmethyl(ethoxy)phosphoryl]methyl]-3-cyclopropylprop-2-enoate (CID 15735578) is ethyl (Z)-2-[[cyclohexylmethyl(ethoxy)phosphoryl]methyl]-3-cyclopropylprop-2-enoate.
What is the SMILES notation for ethyl (Z)-2-[[cyclohexylmethyl(ethoxy)phosphoryl]methyl]-3-cyclopropylprop-2-enoate?
The canonical SMILES for ethyl (Z)-2-[[cyclohexylmethyl(ethoxy)phosphoryl]methyl]-3-cyclopropylprop-2-enoate is CCOC(=O)/C(=C/C1CC1)CP(=O)(CC1CCCCC1)OCC.
What is the InChIKey of ethyl (Z)-2-[[cyclohexylmethyl(ethoxy)phosphoryl]methyl]-3-cyclopropylprop-2-enoate?
The InChIKey is XWNXCNQADYZYEK-SFQUDFHCSA-N. The full InChI is InChI=1S/C18H31O4P/c1-3-21-18(19)17(12-15-10-11-15)14-23(20,22-4-2)13-16-8-6-5-7-9-16/h12,15-16H,3-11,13-14H2,1-2H3/b17-12+.
What are the key properties of ethyl (Z)-2-[[cyclohexylmethyl(ethoxy)phosphoryl]methyl]-3-cyclopropylprop-2-enoate?
ethyl (Z)-2-[[cyclohexylmethyl(ethoxy)phosphoryl]methyl]-3-cyclopropylprop-2-enoate has a molecular weight of 342.42 g/mol, XLogP of 4.78, 9 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl (Z)-2-[[cyclohexylmethyl(ethoxy)phosphoryl]methyl]-3-cyclopropylprop-2-enoate is sourced from PubChem (CID 15735578), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).